benzhydryl 5-chloro-2-hydroxybenzoate

C20H15ClO3 — CID 931900

IUPACbenzhydryl 5-chloro-2-hydroxybenzoate
SMILESO=C(OC(c1ccccc1)c1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C20H15ClO3/c21-16-11-12-18(22)17(13-16)20(23)24-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,22H
InChIKeyCBUILUXQEKSUJQ-UHFFFAOYSA-N
MW338.79 g/mol
LogP4.99
Rot. Bonds4

About benzhydryl 5-chloro-2-hydroxybenzoate

benzhydryl 5-chloro-2-hydroxybenzoate (PubChem CID 931900) has the molecular formula C20H15ClO3 and a molecular weight of 338.79 g/mol. Its IUPAC name is benzhydryl 5-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Namebenzhydryl 5-chloro-2-hydroxybenzoate
PubChem CID931900
Molecular FormulaC20H15ClO3
Molecular Weight338.79 g/mol
Exact Mass338.07
IUPAC Namebenzhydryl 5-chloro-2-hydroxybenzoate
SMILESO=C(OC(c1ccccc1)c1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C20H15ClO3/c21-16-11-12-18(22)17(13-16)20(23)24-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,22H
InChIKeyCBUILUXQEKSUJQ-UHFFFAOYSA-N
XLogP4.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 5-chloro-2-hydroxybenzoate
CID 26478361
(1-anilino-1-oxobutan-2-yl) 5-chloro-2-hydroxybenzoate
CID 18122281
2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid
CID 54253001
(2-amino-2-oxo-1-phenylethyl) 4-chloro-2-hydroxybenzoate
CID 18138363
(2-chlorophenyl) 5-chloro-2-hydroxybenzoate
CID 71318938
benzhydryl 2,4-dichloro-5-sulfamoylbenzoate
CID 30342257
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 5-bromo-2-hydroxybenzoate
CID 27138525
[(R)-(4-chlorophenyl)-phenylmethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2424390
2-bromo-1-(5-chloro-2-hydroxyphenyl)-3-methoxy-3-phenylpropan-1-one
CID 23252561
calcium;5-chloro-2-hydroxybenzoic acid;hydride
CID 174504492
benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126189047
CID 67784559
CID 67784559

Frequently Asked Questions

What is the IUPAC name of benzhydryl 5-chloro-2-hydroxybenzoate?
The IUPAC name of benzhydryl 5-chloro-2-hydroxybenzoate (CID 931900) is benzhydryl 5-chloro-2-hydroxybenzoate.
What is the SMILES notation for benzhydryl 5-chloro-2-hydroxybenzoate?
The canonical SMILES for benzhydryl 5-chloro-2-hydroxybenzoate is O=C(OC(c1ccccc1)c1ccccc1)c1cc(Cl)ccc1O.
What is the InChIKey of benzhydryl 5-chloro-2-hydroxybenzoate?
The InChIKey is CBUILUXQEKSUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClO3/c21-16-11-12-18(22)17(13-16)20(23)24-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,22H.
What are the key properties of benzhydryl 5-chloro-2-hydroxybenzoate?
benzhydryl 5-chloro-2-hydroxybenzoate has a molecular weight of 338.79 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 5-chloro-2-hydroxybenzoate is sourced from PubChem (CID 931900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).